2-[7-(phenylsulfonylamino)-3,4-dihydro-1H-isoquinolin-2-yl]hexanoic acid

Systemtic Name: 2-[7-(phenylsulfonylamino)-3,4-dihydro-1H-isoquinolin-2-yl]hexanoic acid Openeye Name: 2-[7-(benzenesulfonamido)-3,4-dihydro-1H-isoquinolin-2-yl]hexanoic acid CAS Name: 2-[7-(benzenesulfonamido)-3,4-dihydro-1H-isoquinolin-2-yl]hexanoic acid IUPAC Name: 2-[7-(benzenesulfonamido)-3,4-dihydro-1H-isoquinolin-2-yl]hexanoic acid Traditional Name: 2-[7-(benzenesulfonamido)-3,4-dihydro-1H-isoquinolin-2-yl]hexanoic acid Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)N1CCC2=C(C1)C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCC(C(=O)O)N1CCC2=C(C1)C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H26N2O4S/c1-2-3-9-20(21(24)25)23-13-12-16-10-11-18(14-17(16)15-23)22-28(26,27)19-7-5-4-6-8-19/h4-8,10-11,14,20,22H,2-3,9,12-13,15H2,1H3,(H,24,25)